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Information card for entry 1506218
Preview
Coordinates | 1506218.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H26 Fe2 |
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Calculated formula | C34 H26 Fe2 |
SMILES | [Fe]12345678([cH]9[c]5(c5ccc(cc5)C#Cc5ccc([c]%10%11[Fe]%12%13%14%15%16%17%18([cH]%10[cH]%12[cH]%13[cH]%11%14)[cH]%10[cH]%18[cH]%17[cH]%16[cH]%15%10)cc5)[cH]6[cH]7[cH]89)[cH]5[cH]4[cH]3[cH]2[cH]15 |
Title of publication | Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene. |
Authors of publication | Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 22 |
Pages of publication | 5041 - 5044 |
a | 12.6557 ± 0.0006 Å |
b | 7.8068 ± 0.0004 Å |
c | 12.6535 ± 0.0006 Å |
α | 90° |
β | 104.579 ± 0.002° |
γ | 90° |
Cell volume | 1209.92 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1506218.html
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Users of the data should acknowledge the original authors of the
structural data.